(5Z)-5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
Formula:C21H10N2O4ClF3S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5Z)-5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one |
| MolecularFormula | C21H10N2O4ClF3S2 |
| Smiles | [O-][N+](c(cc(cc1)-c2ccc(/C=C(/C(N3c4cc(C(F)(F)F)ccc4)=O)\SC3=S)o2)c1Cl)=O |
| InChI | InChI=1S/C21H10ClF3N2O4S2/c22-15-6-4-11(8-16(15)27(29)30)17-7-5-14(31-17)10-18-19(28)26(20(32)33-18)13-3-1-2-12(9-13)21(23,24)25/h1-10H |
| InChIK | UAODQPVDEVUGOE-UHFFFAOYSA-N |
| TotalMolweight | 510.899 |
| Molweight | 510.899 |
| MonoisotopicMass | 509.972259 |
| CLogP | 4.3639 |
| CLogS | -8.417 |
| H Acceptors | 6 |
| TotalSurfaceArea | 340.48 |
| Relative PSA | 0.31312 |
| PolarSurfaceArea | 136.66 |
| Druglikeness | -8.3735 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5Z)-5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
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